Structure Database (LMSD)
Common Name
Methyl (2E,6Z)-dodecadienoate
Systematic Name
methyl (2E,6Z)-dodeca-2,6-dienoate
Synonyms
3D model of Methyl (2E,6Z)-dodecadienoate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
IYSZVOVZPVKXIJ-OFALOCIGSA-N
InChi (Click to copy)
InChI=1S/C13H22O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h7-8,11-12H,3-6,9-10H2,1-2H3/b8-7-,12-11+
SMILES (Click to copy)
COC(=O)/C=C/CC/C=C\CCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
15
Rings
0
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
243.12
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
3.63
Molar Refractivity
63.67
Admin
Created at
-
Updated at
6th Jun 2022